SCHEMBL13834845

SCHEMBL13834845

Cc1ccc(S(=O)(=O)n2cc(I)c3cncnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43
HTR6 P50406 2/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
PKM P14618 1/20 0.38
PTPN11 Q06124 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1585180 0.86 BRD4 (0.52) BRD4HTTHTR6MEN1KMT2A
SCHEMBL5074943 0.84 CA1 (0.48) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL13835162 0.84 HSD11B1 (0.41) BRD4L3MBTL1POLBALDH3A1HTT
SCHEMBL19250316 0.83 BRD4 (0.54) BRD4L3MBTL1POLBALDH3A1HTT
SCHEMBL20839195 0.82 BRD4 (0.48) BRD4L3MBTL1POLBALDH3A1HTT
SCHEMBL13302164 0.81 L3MBTL1 (0.59) BRD4L3MBTL1POLBALDH3A1HTT
SCHEMBL31246045 0.80 HTR6 (0.48) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL721833 0.80 BRD4 (0.51) BRD4L3MBTL1POLBALDH3A1HTT
SCHEMBL18995268 0.80 BRD4 (0.51) BRD4L3MBTL1POLBALDH3A1HTT
SCHEMBL12066672 0.80 BRD4 (0.51) BRD4L3MBTL1POLBALDH3A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN BRD4 677/4885L3MBTL1 3088/4885POLB 1700/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.